5-[[(3,5-dimethylimidazole-4-carbonyl)amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide

C11H14N6O3 — CID 118777733

IUPAC5-[[(3,5-dimethylimidazole-4-carbonyl)amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
SMILESCNC(=O)c1noc(CNC(=O)c2c(C)ncn2C)n1
InChIInChI=1S/C11H14N6O3/c1-6-8(17(3)5-14-6)10(18)13-4-7-15-9(16-20-7)11(19)12-2/h5H,4H2,1-3H3,(H,12,19)(H,13,18)
InChIKeyAEOVHGRAJQOASU-UHFFFAOYSA-N
MW278.27 g/mol
LogP-0.60
Rot. Bonds4

About 5-[[(3,5-dimethylimidazole-4-carbonyl)amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide

5-[[(3,5-dimethylimidazole-4-carbonyl)amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 118777733) has the molecular formula C11H14N6O3 and a molecular weight of 278.27 g/mol. Its IUPAC name is 5-[[(3,5-dimethylimidazole-4-carbonyl)amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-[[(3,5-dimethylimidazole-4-carbonyl)amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
PubChem CID118777733
Molecular FormulaC11H14N6O3
Molecular Weight278.27 g/mol
Exact Mass278.11
IUPAC Name5-[[(3,5-dimethylimidazole-4-carbonyl)amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
SMILESCNC(=O)c1noc(CNC(=O)c2c(C)ncn2C)n1
InChIInChI=1S/C11H14N6O3/c1-6-8(17(3)5-14-6)10(18)13-4-7-15-9(16-20-7)11(19)12-2/h5H,4H2,1-3H3,(H,12,19)(H,13,18)
InChIKeyAEOVHGRAJQOASU-UHFFFAOYSA-N
XLogP-0.60
TPSA114.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[(3,5-dimethylimidazole-4-carbonyl)amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-[[(3,5-dimethylimidazole-4-carbonyl)amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide (CID 118777733) is 5-[[(3,5-dimethylimidazole-4-carbonyl)amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-[[(3,5-dimethylimidazole-4-carbonyl)amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-[[(3,5-dimethylimidazole-4-carbonyl)amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide is CNC(=O)c1noc(CNC(=O)c2c(C)ncn2C)n1.
What is the InChIKey of 5-[[(3,5-dimethylimidazole-4-carbonyl)amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is AEOVHGRAJQOASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O3/c1-6-8(17(3)5-14-6)10(18)13-4-7-15-9(16-20-7)11(19)12-2/h5H,4H2,1-3H3,(H,12,19)(H,13,18).
What are the key properties of 5-[[(3,5-dimethylimidazole-4-carbonyl)amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide?
5-[[(3,5-dimethylimidazole-4-carbonyl)amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 278.27 g/mol, XLogP of -0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3,5-dimethylimidazole-4-carbonyl)amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 118777733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).